File name: Pandora272s1_Lauder_20260618_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260618T130309.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora272_OF_v4d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20260618_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20260618 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Column 101: Humidity inside spectrometer box [%], -9=no humidity signal Column 102: Temperature inside spectrometer box [°C], 999=no temperature signal Column 103: Pressure inside spectrometer box [hPa], -9=no pressure signal Columns 104-246: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 247-389: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20260617T215702.6Z 9664.914613 446 1 18.96 2 78.11 38.27 101.47 70.76 0.00 1 0.00 1 0 25 3.914e-01 2.179e-02 1.946e-01 5.789e-03 6.307079e-01 2.987347e-03 7.555229e-03 -6.000000e+00 2.196047e-01 219.64 -2.00 3.69 -2.00 320.42 0.00e+00 1.666221e-04 1.135929e-03 1.676951e-03 -6.000000e+00 1.031117e-02 274.37 -2.00 20.00 -2.00 319.96 0.00e+00 4.706 0.001 302.00 328.00 3 3.3235e+00 8.9441e-03 5.5851e-02 -6.0000e+00 5.3857e-01 1.0112e-01 1.1443e-02 3.4510e-02 -6.0000e+00 5.8822e-01 -1.1741e-01 1.1428e-02 1.8565e-02 -6.0000e+00 3.4961e-01 4.3854e-02 5.7856e-03 5.9530e-03 -6.0000e+00 1.5203e-01 1.0901e-04 1.5246e-03 1.5924e-04 7.1988e-05 -6.0000e+00 1.0881e-02 2.2144e-02 2.5610e-04 12 9 9 12 33 1 99.95 25.95 0.37 0.02214 0.03360 10 3 2 8 0 1723.280 20.00 25.95 7.39 35.50 34.25 1.4 909.95 -9.0 999.00 -9.00 -188034 -45716 900000 11488 900000 128050 -64158 -74781 -174800 900000 -191653 -145634 -11531 -52083 -11929 -76043 -97721 41653 -59344 900000 29609 18828 -30509 -17465 69728 -4656 -6582 16582 -923 49338 -34120 26481 3498 26383 -25828 3492 -158 3313 34847 17783 -7546 59094 67834 26337 18162 1682 9567 13983 -12701 -1517 16020 12465 13082 -2708 286 6052 11347 -6046 -3321 14023 14293 3106 10009 -995 -5055 1218 10553 -420 10706 -1552 4530 4453 -2757 4953 -4461 -1620 4561 -458 -1927 -3114 -2830 1610 13 -6079 -10231 521 -1588 -103 -817 -1735 4003 216 375 -1274 -136 -1572 -309 1533 -301 1976 -206 -1022 -2371 -684 -583 564 -461 1651 -491 869 671 0 397 1234 1221 -1269 42 -51 -572 1012 -414 -183 492 497 1227 -791 -84 -190 896 -1365 1227 662 -584 -331 113 24 -384 154 673 -270 -178 -333 -611 -4146 -281 900000 65 900000 722 -543 -801 -5289 900000 -7961 -4765 -124 -1058 -202 -2917 -5237 611 -2578 900000 568 404 -1136 -631 1141 -171 -252 486 -31 1085 -2040 1016 195 1265 -2011 201 -10 249 2339 1715 -1064 4600 5089 3060 2305 256 1371 1972 -2443 -278 2738 2468 2819 -747 82 1704 3130 -1805 -1028 3567 3709 981 3033 -380 -2131 472 3680 -168 4151 -780 2386 2466 -1635 2578 -2338 -739 1808 -190 -891 -1715 -1818 1041 10 -4975 -9316 455 -1486 -98 -787 -1632 3310 173 287 -1002 -116 -1566 -323 1811 -370 2399 -260 -1191 -2526 -699 -638 646 -560 2107 -646 1252 1006 -1 647 1934 1941 -1959 63 -80 -885 1615 -673 -286 792 773 1807 -1146 -117 -267 1379 -2257 2175 1192 -1118 -664 240 52 -842 341 1496 -585 -363 -683 -1199 SS 20260617T220645.8Z 9664.921363 451 1 54.30 2 77.07 36.25 99.90 69.23 0.00 1 0.00 1 0 25 2.054e-01 8.390e-03 1.265e-02 7.276e-04 5.878266e-01 3.653976e-04 7.250319e-03 -6.000000e+00 1.148554e-01 219.64 -2.00 3.69 -2.00 319.53 0.00e+00 2.220882e-03 1.039932e-04 6.522781e-04 -6.000000e+00 5.040445e-03 274.37 -2.00 20.00 -2.00 319.02 0.00e+00 4.354 0.001 302.00 328.00 3 1.0488e+00 1.0161e-03 5.1431e-02 -6.0000e+00 2.8108e-01 3.9109e-02 1.2081e-03 3.0960e-02 -6.0000e+00 3.0657e-01 -5.5776e-02 1.0598e-03 1.6374e-02 -6.0000e+00 1.8281e-01 1.8774e-02 5.6522e-04 5.6580e-03 -6.0000e+00 7.9135e-02 1.5441e-03 -3.9539e-04 1.9536e-05 6.0884e-05 -6.0000e+00 5.6340e-03 2.2333e-02 6.1851e-05 11 8 0 10 0 0 99.99 25.95 0.30 0.02233 0.01936 370 38 4 8 0 146.740 20.00 25.95 7.49 35.50 34.25 1.4 910.33 -9.0 999.00 -9.00 -96497 -61726 -71067 -56107 -58447 -70474 -49861 -71246 -71223 -62301 -63593 -53194 -39565 -26230 -16744 -3465 -17172 -10293 -10939 8 -6443 -6107 -7845 -9618 -5246 290 -8970 -13052 -12690 -9040 -6276 29 -2143 -1428 -8267 -8063 -7943 -5412 -519 585 -380 1666 6773 3927 1060 2520 762 1809 -1782 -780 2148 2307 2739 2140 1939 1839 1814 8 -271 26 1278 1585 2819 2738 1633 1009 749 -455 844 538 1323 1269 51 934 -355 -736 -1415 -2066 -1475 -1224 -1251 -1062 -1744 -2346 -1930 -623 -295 293 881 784 769 279 -371 -586 -488 -308 177 945 516 333 14 -1011 -1722 -916 -832 -986 -830 -536 -427 304 619 654 336 210 -32 -227 -53 13 175 384 65 396 600 466 642 550 37 275 483 87 345 59 -218 -259 -104 -161 -227 357 163 -64 -89 -339 -678 -1904 -1003 -1367 -904 -883 -1190 -743 -1481 -1678 -1468 -1593 -1351 -1098 -808 -586 -127 -814 -502 -581 0 -354 -335 -460 -627 -352 20 -682 -1004 -945 -695 -551 3 -245 -175 -1050 -1008 -1091 -770 -86 116 -86 397 1619 994 279 668 210 463 -492 -226 666 796 1027 812 786 775 788 4 -117 11 547 736 1355 1484 949 577 421 -264 484 354 904 914 37 643 -243 -455 -867 -1259 -905 -876 -981 -896 -1546 -2217 -1835 -626 -311 301 907 827 756 271 -344 -545 -467 -320 200 1162 673 441 18 -1234 -2004 -1028 -997 -1201 -1059 -697 -600 449 969 1051 549 332 -50 -335 -79 19 276 613 105 619 942 708 967 798 52 386 744 140 581 104 -402 -483 -199 -317 -460 733 340 -130 -176 -659 -1262 SS 20260617T221228.6Z 9664.925331 454 1 54.36 2 76.48 35.04 98.98 68.32 0.00 1 0.00 1 0 17 1.600e-01 7.933e-03 9.753e-03 6.651e-04 5.637131e-01 3.327756e-04 6.985185e-03 -6.000000e+00 8.948579e-02 219.64 -2.00 3.69 -2.00 319.30 0.00e+00 1.459528e-03 8.834188e-05 7.128452e-04 -6.000000e+00 3.926755e-03 274.37 -2.00 20.00 -2.00 318.79 0.00e+00 4.177 0.001 302.00 328.00 3 1.0751e+00 9.1366e-04 4.9324e-02 -6.0000e+00 2.1900e-01 3.6095e-02 1.0743e-03 2.9650e-02 -6.0000e+00 2.3885e-01 -5.3478e-02 9.0365e-04 1.5502e-02 -6.0000e+00 1.4242e-01 1.9315e-02 4.8524e-04 5.0135e-03 -6.0000e+00 6.1661e-02 1.8142e-03 -2.9726e-04 1.7949e-05 5.4300e-05 -6.0000e+00 4.3891e-03 2.1638e-02 6.0121e-05 11 8 0 10 0 0 99.97 25.95 0.30 0.02164 0.01940 370 38 4 8 0 146.890 20.00 25.95 7.57 35.50 34.25 1.4 910.57 -9.0 999.00 -9.00 -77973 -50011 -56243 -48735 -46150 -50000 -41436 -60675 -47525 -45397 -52294 -38267 -30626 -14347 -12760 -2404 -12149 -4210 -10320 918 -3726 -1601 -3636 -7897 -2799 731 -3757 -8935 -7882 -5284 -4408 -528 -1515 -759 -6619 -5197 -7190 -3838 288 1082 -257 2606 -2365 167 1631 2205 1280 1599 -1021 -468 1818 2038 2688 2083 1984 1872 1945 535 -73 639 1528 1349 2565 2642 1365 930 409 -207 590 901 1194 1205 493 860 -117 -916 -1485 -1988 -1751 -1311 -1276 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